Krishnan Raghavachari

63PUBLICATIONS

44CO-AUTHORS

Polymerisation mechanismsTheoretical quantum chemistryBiologically active moleculesBiomolecular modelling and designSupramolecular chemistry

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Publications (63)

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|Jun 08, 2026

Transient and Regulated Cycles of Chemically Driven Disassembly and Reassembly in Anion-Driven Supramolecular Polymers.

|Jun 01, 2026

Physics-informed machine learning model for accurate prediction of electron affinities.

|May 28, 2026

Ladderanes: Stepping Up as Nonclassical ortho-Substituted Benzene Bioisosteres.

|May 06, 2026

MIM-ML: Combining Molecular Fragmentation and Machine Learning for Accurate Prediction of NMR Chemical Shifts for Large Peptides.

|Nov 14, 2025

Anion Binding by Macrocyclic Receptors: Computational Landscape of 1:1 and 2:1 Stoichiometries.

Minwei Che, Amar H Flood, Krishnan Raghavachari

|Oct 24, 2025

Evidence of HF Loss in C or C- + C6FxH6-x (1 ≤ x ≤ 5) Reactions.

Conor J McGee, Kristen Rose McGinnis, Krishnan Raghavachari

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Frequent Collaborators

12 joint publications

Amar H Flood

10 joint publications

Bishnu Thapa

Vikrant Tripathy

Daniel Beckett

Eric M Collins

Sruthy K Chandy

Liang-Shi Li

Caroline Chick Jarrold

3 joint publications

Ankur Kumar Gupta

3 joint publications

David E Clemmer

Frequent Collaborators

12 joint publications

Amar H Flood

10 joint publications

Bishnu Thapa

6 joint publications

Vikrant Tripathy

6 joint publications

Daniel Beckett